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Prediction of (207)Pb NMR parameters for the solid ionic lead(II) halides using the relativistic ZORA-DFT formalism: Comparison with the lead-containing molecular systems. [JOURNAL ARTICLE]
Solid State Nucl Magn Reson 2008 Aug 30.
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| Willans MJ, Demko BA, Wasylishen RE
An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides. [Journal Article]
Phys Chem Chem Phys 2006 Jun 21; 8(23):2733-43.
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Interpretation of indirect nuclear spin-spin coupling tensors for polyatomic xenon fluorides and group 17 fluorides: results from relativistic density-functional calculations. [Journal Article]
Inorg Chem 2002 Jun 17; 41(12):3091-101.
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| Demko BA, Eichele K, Wasylishen RE
A combined experimental and quantum chemistry study of selenium chemical shift tensors. [Journal Article]
J Phys Chem A Mol Spectrosc Kinet Environ Gen Theory 2006 Dec 21; 110(50):13537-50.
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| Briand GG, Smith AD, Schatte G, et al.
Probing Lead(II) Bonding Environments in 4-Substituted Pyridine Adducts of (2,6-Me(2)C(6)H(3)S)(2)Pb: An X-ray Structural and Solid-State (207)Pb NMR Study. [JOURNAL ARTICLE]
Inorg Chem 2007 Sep 15.
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| Sinnecker S, Slep LD, Bill E, et al.
Performance of nonrelativistic and quasi-relativistic hybrid DFT for the prediction of electric and magnetic hyperfine parameters in 57Fe Mössbauer spectra. [Journal Article]
Inorg Chem 2005 Apr 4; 44(7):2245-54.
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| Willans MJ, Feindel KW, Ooms KJ, et al.
An investigation of lanthanum coordination compounds by using solid-state 139La NMR spectroscopy and relativistic density functional theory. [Journal Article]
Chemistry 2005 Dec 16; 12(1):159-68.
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Relativistic heavy-atom effects on heavy-atom nuclear shieldings. [JOURNAL ARTICLE]
J Chem Phys 2006 Nov 14; 125(18):184113.
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| Schreckenbach G
NMR shielding calculations across the periodic table: diamagnetic uranium compounds. 2. Ligand and metal NMR. [Journal Article]
Inorg Chem 2002 Dec 16; 41(25):6560-72.
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